Molecule

ID:74967

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂BrO₃P
Molecular Mass
279.067541
Exact Mass
277.97074287
Charge
0
InChI
InChI=1S/C9H12BrO3P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKey
UGQVUWCKOLSYSZ-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(Cc1ccc(cc1)Br)OC
Isomeric Smiles
P(=O)(OC)(Cc1ccc(cc1)Br)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4118705
LogD (pH = 7.4)
2.4118705
Log P
2.4118705
Molar Refractivity
58.5018
Polarizability
23.442394
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation